2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide

C14H17N3O3S — CID 8532227

IUPAC2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNC(=O)/C=C/Sc1ccccc1
InChIInChI=1S/C14H17N3O3S/c1-10(2)15-13(19)14(20)17-16-12(18)8-9-21-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,15,19)(H,16,18)(H,17,20)/b9-8+
InChIKeyDCRRBPVRQFQPSU-CMDGGOBGSA-N
MW307.38 g/mol
LogP0.96
Rot. Bonds4

About 2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide

2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide (PubChem CID 8532227) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide
PubChem CID8532227
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNC(=O)/C=C/Sc1ccccc1
InChIInChI=1S/C14H17N3O3S/c1-10(2)15-13(19)14(20)17-16-12(18)8-9-21-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,15,19)(H,16,18)(H,17,20)/b9-8+
InChIKeyDCRRBPVRQFQPSU-CMDGGOBGSA-N
XLogP0.96
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide (CID 8532227) is 2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)NNC(=O)/C=C/Sc1ccccc1.
What is the InChIKey of 2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide?
The InChIKey is DCRRBPVRQFQPSU-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10(2)15-13(19)14(20)17-16-12(18)8-9-21-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,15,19)(H,16,18)(H,17,20)/b9-8+.
What are the key properties of 2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide?
2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide has a molecular weight of 307.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 8532227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).